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Information card for entry 1555016
Preview
| Coordinates | 1555016.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C152 H128 N8 O24 Zn |
|---|---|
| Calculated formula | C152 H128 N8 O24 Zn |
| Title of publication | Dual-directional alkyne-terminated macrocycles: Enroute to non-aggregating molecular platforms |
| Authors of publication | Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Durmuş, Mahmut; Zhang, Xian-Fu; Makhseed, Saad |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 18 |
| Pages of publication | 3192 |
| a | 12.8844 ± 0.0013 Å |
| b | 13.9073 ± 0.0013 Å |
| c | 20.6328 ± 0.0019 Å |
| α | 98.862 ± 0.007° |
| β | 106.525 ± 0.007° |
| γ | 94.899 ± 0.007° |
| Cell volume | 3469.4 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1869 |
| Residual factor for significantly intense reflections | 0.138 |
| Weighted residual factors for significantly intense reflections | 0.384 |
| Weighted residual factors for all reflections included in the refinement | 0.42 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.446 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238272 (current) | 2019-11-24 | cif/ Adding structures of 1555013, 1555014, 1555015, 1555016, 1555017 via cif-deposit CGI script. |
1555016.cif |
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Users of the data should acknowledge the original authors of the
structural data.